4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol

C14H18FNO2 — CID 82087646

IUPAC4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol
SMILESNCC1(O)CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c15-10-3-4-12-11(7-10)14(17,9-16)8-13(18-12)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8-9,16H2
InChIKeyZETKQAMFPBKECQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.07
Rot. Bonds1

About 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol

4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol (PubChem CID 82087646) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol
PubChem CID82087646
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol
SMILESNCC1(O)CC2(CCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C14H18FNO2/c15-10-3-4-12-11(7-10)14(17,9-16)8-13(18-12)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8-9,16H2
InChIKeyZETKQAMFPBKECQ-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
CID 11693600
4-Chromanol, 3-amino-, (E)-
CID 214670
4-Chromanol, 3-amino-, (Z)-
CID 214671
4-(aminomethyl)-3,4-dihydro-2H-1-benzopyran-4-ol
CID 12914867
1-(2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl)methanamine
CID 69938036
(alphaR,2S)-alpha-(Aminomethyl)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol
CID 11458498
(4R)-6-fluoro-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentane]-4-amine hydrochloride
CID 137964007
3-Amino-3,4-dihydro-2h-1-benzopyran-4-ol
CID 5116378
4-(4-fluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-ol
CID 14770935
(3S,4R)-3-amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol
CID 15743522
6-Fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 21257087
3-Amino-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-ol
CID 21640932

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol?
The IUPAC name of 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol (CID 82087646) is 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol.
What is the SMILES notation for 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol?
The canonical SMILES for 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol is NCC1(O)CC2(CCCC2)Oc2ccc(F)cc21.
What is the InChIKey of 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol?
The InChIKey is ZETKQAMFPBKECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-10-3-4-12-11(7-10)14(17,9-16)8-13(18-12)5-1-2-6-13/h3-4,7,17H,1-2,5-6,8-9,16H2.
What are the key properties of 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol?
4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol has a molecular weight of 251.30 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-fluorospiro[3H-chromene-2,1'-cyclopentane]-4-ol is sourced from PubChem (CID 82087646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).