3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol

C9H18F2N2O — CID 106172846

IUPAC3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol
SMILESNC1CCCC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H18F2N2O/c10-9(11,6-14)5-13-8-3-1-2-7(12)4-8/h7-8,13-14H,1-6,12H2
InChIKeyZHRLNMPZKMCIFF-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.47
Rot. Bonds4

About 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol

3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106172846) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol
PubChem CID106172846
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol
SMILESNC1CCCC(NCC(F)(F)CO)C1
InChIInChI=1S/C9H18F2N2O/c10-9(11,6-14)5-13-8-3-1-2-7(12)4-8/h7-8,13-14H,1-6,12H2
InChIKeyZHRLNMPZKMCIFF-UHFFFAOYSA-N
XLogP0.47
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclohexylamino)propan-1-ol
CID 35737
(2S)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247945
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129247978
1-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129248192
2-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol
CID 129275943
2-[(4-Aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;dihydrochloride
CID 139369282
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen
CID 158943513
(2S)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen
CID 158943514
N-cyclohexylcyclohexanamine;2,2,2-trifluoroethanol
CID 173402336
4-[(4,4-Difluorocyclohexyl)amino]butan-1-ol
CID 176410467
3-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 43770625
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol
CID 54993575

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol (CID 106172846) is 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol is NC1CCCC(NCC(F)(F)CO)C1.
What is the InChIKey of 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is ZHRLNMPZKMCIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c10-9(11,6-14)5-13-8-3-1-2-7(12)4-8/h7-8,13-14H,1-6,12H2.
What are the key properties of 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol?
3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 208.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclohexyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).