(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one

C10H17F2NO — CID 59115403

IUPAC(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
SMILESCN[C@H](C(C)=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-7(14)9(13-2)8-3-5-10(11,12)6-4-8/h8-9,13H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyWZTHDDQFGNNIIP-SECBINFHSA-N
MW205.25 g/mol
LogP1.99
Rot. Bonds3

About (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one

(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one (PubChem CID 59115403) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
PubChem CID59115403
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
SMILESCN[C@H](C(C)=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-7(14)9(13-2)8-3-5-10(11,12)6-4-8/h8-9,13H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyWZTHDDQFGNNIIP-SECBINFHSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one?
The IUPAC name of (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one (CID 59115403) is (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one.
What is the SMILES notation for (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one?
The canonical SMILES for (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one is CN[C@H](C(C)=O)C1CCC(F)(F)CC1.
What is the InChIKey of (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one?
The InChIKey is WZTHDDQFGNNIIP-SECBINFHSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(14)9(13-2)8-3-5-10(11,12)6-4-8/h8-9,13H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one?
(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one has a molecular weight of 205.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 59115403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).