(2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol

C6H6F7IO2 — CID 7021687

IUPAC(2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol
SMILESOC[C@@H](I)C[C@@](F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7IO2/c7-4(5(8,9)10,1-3(14)2-15)16-6(11,12)13/h3,15H,1-2H2/t3-,4+/m0/s1
InChIKeyKPABQJYHRYTITM-IUYQGCFVSA-N
MW370.00 g/mol
LogP2.94
Rot. Bonds4

About (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol

(2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol (PubChem CID 7021687) has the molecular formula C6H6F7IO2 and a molecular weight of 370.00 g/mol. Its IUPAC name is (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol.

Molecular Properties

Compound Name(2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol
PubChem CID7021687
Molecular FormulaC6H6F7IO2
Molecular Weight370.00 g/mol
Exact Mass369.93
IUPAC Name(2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol
SMILESOC[C@@H](I)C[C@@](F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7IO2/c7-4(5(8,9)10,1-3(14)2-15)16-6(11,12)13/h3,15H,1-2H2/t3-,4+/m0/s1
InChIKeyKPABQJYHRYTITM-IUYQGCFVSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.00
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)pentane
CID 26985944
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)octane
CID 2782599
(2S)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol
CID 97290955
1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethoxy)butane
CID 2776771
4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one
CID 2776783
2-iodo-3-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)propan-1-ol;2-iodo-3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propan-1-ol
CID 161308858
(2R)-3,3,3-trifluoro-2-iodopropan-1-ol
CID 126560574
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
CID 66573360
9,9,10,10,11,11,12,12,13,13,14,14,14-tridecafluoro-7-iodotetradecane-1,2-diol
CID 10257824
(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
CID 40501241
9,9,10,10,11,11,11-heptafluoro-7-iodoundecan-1-ol
CID 152550034
2,2-bis(trifluoromethoxy)ethanol
CID 175090363

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol?
The IUPAC name of (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol (CID 7021687) is (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol.
What is the SMILES notation for (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol?
The canonical SMILES for (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol is OC[C@@H](I)C[C@@](F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol?
The InChIKey is KPABQJYHRYTITM-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H6F7IO2/c7-4(5(8,9)10,1-3(14)2-15)16-6(11,12)13/h3,15H,1-2H2/t3-,4+/m0/s1.
What are the key properties of (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol?
(2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol has a molecular weight of 370.00 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4,5,5,5-tetrafluoro-2-iodo-4-(trifluoromethoxy)pentan-1-ol is sourced from PubChem (CID 7021687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).