(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C14H18FNO2 — CID 106825097

IUPAC(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCOC1CC2(C1)C[C@H](N)c1cc(F)ccc1O2
InChIInChI=1S/C14H18FNO2/c1-2-17-10-6-14(7-10)8-12(16)11-5-9(15)3-4-13(11)18-14/h3-5,10,12H,2,6-8,16H2,1H3/t10?,12-,14?/m0/s1
InChIKeyMMVWBMBFSSIIIV-KHJSKFAYSA-N
MW251.30 g/mol
LogP2.55
Rot. Bonds2

About (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 106825097) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID106825097
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESCCOC1CC2(C1)C[C@H](N)c1cc(F)ccc1O2
InChIInChI=1S/C14H18FNO2/c1-2-17-10-6-14(7-10)8-12(16)11-5-9(15)3-4-13(11)18-14/h3-5,10,12H,2,6-8,16H2,1H3/t10?,12-,14?/m0/s1
InChIKeyMMVWBMBFSSIIIV-KHJSKFAYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825088
(4R)-3'-ethoxy-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825149
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825158
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 114708695
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68594998
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 106825097) is (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is CCOC1CC2(C1)C[C@H](N)c1cc(F)ccc1O2.
What is the InChIKey of (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is MMVWBMBFSSIIIV-KHJSKFAYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-17-10-6-14(7-10)8-12(16)11-5-9(15)3-4-13(11)18-14/h3-5,10,12H,2,6-8,16H2,1H3/t10?,12-,14?/m0/s1.
What are the key properties of (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 251.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 106825097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).