(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

C12H19F2NO — CID 105179375

IUPAC(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c13-12(14)5-3-9(4-6-12)11(15)10-2-1-7-16-8-10/h8-9,11H,1-7,15H2
InChIKeyJCUKYSIDMLDQDY-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.83
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine

(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (PubChem CID 105179375) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
PubChem CID105179375
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
SMILESNC(C1=COCCC1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO/c13-12(14)5-3-9(4-6-12)11(15)10-2-1-7-16-8-10/h8-9,11H,1-7,15H2
InChIKeyJCUKYSIDMLDQDY-UHFFFAOYSA-N
XLogP2.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 104058657
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluorobutan-1-amine
CID 104059226
4-(3,4-dihydro-2H-pyran-5-yl)-4-fluorocyclohexan-1-amine
CID 104059466
3-(3,4-dihydro-2H-pyran-5-yl)-3-fluorocyclohexan-1-amine
CID 104059484
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]ethanamine
CID 105179251
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179253
N-[3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179256
N-[3,4-dihydro-2H-pyran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105179285
N-[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105179333
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105179349
N-[3,4-dihydro-2H-pyran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105179364
1-(4,4-difluorocyclohexyl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylmethanamine
CID 105179389

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The IUPAC name of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine (CID 105179375) is (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is NC(C1=COCCC1)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
The InChIKey is JCUKYSIDMLDQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c13-12(14)5-3-9(4-6-12)11(15)10-2-1-7-16-8-10/h8-9,11H,1-7,15H2.
What are the key properties of (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine?
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine has a molecular weight of 231.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine is sourced from PubChem (CID 105179375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).