6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine

C14H18FNO2 — CID 114708531

IUPAC6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
SMILESNC1CC2(CCCOCC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c15-10-2-3-13-11(8-10)12(16)9-14(18-13)4-1-6-17-7-5-14/h2-3,8,12H,1,4-7,9,16H2
InChIKeyNRJKDHJDPJFYSK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.55
Rot. Bonds

About 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine

6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine (PubChem CID 114708531) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine.

Molecular Properties

Compound Name6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
PubChem CID114708531
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine
SMILESNC1CC2(CCCOCC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c15-10-2-3-13-11(8-10)12(16)9-14(18-13)4-1-6-17-7-5-14/h2-3,8,12H,1,4-7,9,16H2
InChIKeyNRJKDHJDPJFYSK-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
(4R)-6-fluoro-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944317
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114708697
6-fluoro-3',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708519
(4R)-7-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-ol
CID 104951617
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82087172
6-fluorospiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 114714192
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441

Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine?
The IUPAC name of 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine (CID 114708531) is 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine.
What is the SMILES notation for 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine?
The canonical SMILES for 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine is NC1CC2(CCCOCC2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine?
The InChIKey is NRJKDHJDPJFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-10-2-3-13-11(8-10)12(16)9-14(18-13)4-1-6-17-7-5-14/h2-3,8,12H,1,4-7,9,16H2.
What are the key properties of 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine?
6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine has a molecular weight of 251.30 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[3,4-dihydrochromene-2,4'-oxepane]-4-amine is sourced from PubChem (CID 114708531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).