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

C9H17F2NO — CID 104857367

IUPAC3-(cyclohexylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCCCC1
InChIInChI=1S/C9H17F2NO/c10-9(11,7-13)6-12-8-4-2-1-3-5-8/h8,12-13H,1-7H2
InChIKeyBOYMDTJIDMOZGP-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.54
Rot. Bonds4

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

3-(cyclohexylamino)-2,2-difluoropropan-1-ol (PubChem CID 104857367) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(cyclohexylamino)-2,2-difluoropropan-1-ol
PubChem CID104857367
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-(cyclohexylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1CCCCC1
InChIInChI=1S/C9H17F2NO/c10-9(11,7-13)6-12-8-4-2-1-3-5-8/h8,12-13H,1-7H2
InChIKeyBOYMDTJIDMOZGP-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(cyclohexylamino)-2,2-difluoropropan-1-ol (CID 104857367) is 3-(cyclohexylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(cyclohexylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(cyclohexylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-2,2-difluoropropan-1-ol?
The InChIKey is BOYMDTJIDMOZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11,7-13)6-12-8-4-2-1-3-5-8/h8,12-13H,1-7H2.
What are the key properties of 3-(cyclohexylamino)-2,2-difluoropropan-1-ol?
3-(cyclohexylamino)-2,2-difluoropropan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104857367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).