(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H22FNO — CID 104948009

IUPAC(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCC2(C1)C[C@@H](N)c1ccc(F)cc1O2
InChIInChI=1S/C16H22FNO/c1-2-11-4-3-7-16(9-11)10-14(18)13-6-5-12(17)8-15(13)19-16/h5-6,8,11,14H,2-4,7,9-10,18H2,1H3/t11?,14-,16?/m1/s1
InChIKeyUFMWKYSBDAJXEQ-OFWKBQFLSA-N
MW263.36 g/mol
LogP3.95
Rot. Bonds1

About (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104948009) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104948009
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCC2(C1)C[C@@H](N)c1ccc(F)cc1O2
InChIInChI=1S/C16H22FNO/c1-2-11-4-3-7-16(9-11)10-14(18)13-6-5-12(17)8-15(13)19-16/h5-6,8,11,14H,2-4,7,9-10,18H2,1H3/t11?,14-,16?/m1/s1
InChIKeyUFMWKYSBDAJXEQ-OFWKBQFLSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104948009) is (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCC1CCCC2(C1)C[C@@H](N)c1ccc(F)cc1O2.
What is the InChIKey of (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is UFMWKYSBDAJXEQ-OFWKBQFLSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-11-4-3-7-16(9-11)10-14(18)13-6-5-12(17)8-15(13)19-16/h5-6,8,11,14H,2-4,7,9-10,18H2,1H3/t11?,14-,16?/m1/s1.
What are the key properties of (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104948009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).