3-(cycloheptylamino)-2,2-difluoropropan-1-ol

C10H19F2NO — CID 104857454

IUPAC3-(cycloheptylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12,8-14)7-13-9-5-3-1-2-4-6-9/h9,13-14H,1-8H2
InChIKeyAGFGOIBHTNAQPC-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.93
Rot. Bonds4

About 3-(cycloheptylamino)-2,2-difluoropropan-1-ol

3-(cycloheptylamino)-2,2-difluoropropan-1-ol (PubChem CID 104857454) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(cycloheptylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(cycloheptylamino)-2,2-difluoropropan-1-ol
PubChem CID104857454
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name3-(cycloheptylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12,8-14)7-13-9-5-3-1-2-4-6-9/h9,13-14H,1-8H2
InChIKeyAGFGOIBHTNAQPC-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1,1-dioxothian-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104860393
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176276
3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol
CID 106172985
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
2-[(2,2-difluoro-3-hydroxypropyl)amino]cyclopentan-1-ol
CID 106176943
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
2,2-difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
1-N-cyclohexyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847312

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(cycloheptylamino)-2,2-difluoropropan-1-ol (CID 104857454) is 3-(cycloheptylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(cycloheptylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(cycloheptylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylamino)-2,2-difluoropropan-1-ol?
The InChIKey is AGFGOIBHTNAQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12,8-14)7-13-9-5-3-1-2-4-6-9/h9,13-14H,1-8H2.
What are the key properties of 3-(cycloheptylamino)-2,2-difluoropropan-1-ol?
3-(cycloheptylamino)-2,2-difluoropropan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).